KEGG   DRUG: Varespladib methyl
Entry
D08221                      Drug                                   
Name
Varespladib methyl (USAN)
Formula
C22H22N2O5
Exact mass
394.1529
Mol weight
394.4205
Structure
Simcomp
Remark
Chemical structure group: DG01394
Efficacy
Antidyslipidemia, Secretory phospholipase A2 (sPLA2) inhibitor
Comment
Treatment of dyslipidemia
Target
PLA2G7 (LP-PLA2) [HSA:7941] [KO:K01062]
  Pathway
hsa00565  Ether lipid metabolism
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Carboxylic-ester hydrolases
    PLA2G7 (LP-PLA2)
     D08221  Varespladib methyl (USAN)
Other DBs
CAS: 172733-08-3
PubChem: 96024909
ChEBI: 192805
LigandBox: D08221
KCF data

ATOM        29
            1   C1b C    18.8618  -19.4247
            2   C8y C    20.1235  -20.1256
            3   N4y N    18.8618  -18.0228
            4   C8x C    20.1235  -21.5275
            5   C8x C    21.3150  -22.2284
            6   C8x C    22.5066  -21.5275
            7   C8x C    22.5066  -20.1256
            8   C8x C    21.3150  -19.4247
            9   C8y C    19.9833  -17.1817
            10  C8y C    19.5627  -15.8499
            11  C8y C    18.1608  -15.8499
            12  C8y C    17.7403  -17.1817
            13  C8y C    17.2496  -14.8686
            14  C8x C    15.8478  -15.1490
            15  C8x C    15.4272  -16.4808
            16  C8x C    16.4085  -17.5322
            17  C1b C    21.1749  -17.8826
            18  C1a C    22.4365  -17.1817
            19  C5a C    20.2636  -14.6583
            20  C5a C    21.6655  -14.6584
            21  N1a N    22.3664  -13.4667
            22  O5a O    19.5627  -13.4667
            23  O5a O    22.3664  -15.9200
            24  O2a O    17.6702  -13.5368
            25  C1b C    16.6889  -12.4854
            26  C7a C    15.3107  -12.8332
            27  O6a O    14.3333  -11.8268
            28  O7a O    14.9363  -14.1535
            29  C1a C    13.5576  -14.5020
BOND        31
            1     1   2 1
            2     1   3 1
            3     2   4 2
            4     4   5 1
            5     5   6 2
            6     6   7 1
            7     7   8 2
            8     2   8 1
            9     3   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 1
            13    3  12 1
            14   11  13 2
            15   13  14 1
            16   14  15 2
            17   15  16 1
            18   12  16 2
            19    9  17 1
            20   17  18 1
            21   10  19 1
            22   19  20 1
            23   20  21 1
            24   19  22 2
            25   20  23 2
            26   13  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 2
            30   26  28 1
            31   28  29 1

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Ontology (1)   
   KEGG BRITE (1)   
Drug (2)   
   KEGG DGROUP (1)   
   LigandBox (1)   
Chemical substance (2)   
   PubChem (1)   
   ChEBI (1)   
Gene (2)   
   KEGG ORTHOLOGY (1)   
   KEGG GENES (1)   
All databases (7)   

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